Add ability to extract rotation angles from rotation matrices. Fix rotations around multiple axes. - #978

Merged

drroe merged 17 commits into

Amber-MD:masterfrom

drroe:rotmatrix.decompose

Jul 1, 2022

Commits on Jul 1, 2022

Add function to decompose rotation matrix into Euler angles. Make some
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e7f93a5
Protect atan2 functions
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a35cc98
Fix depends. Get set for calcfrom keyword.
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e8f511f
Add test of basic rotation
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328b8af
Fix calculation of rotation matrix from rotations around X Y and Z axes
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9d3da11
For basic rotate test, first rotate each axis separately then combined
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3827196
Ensure correct arg is being parsed. Add some debug output. Fix box
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fe25564
Add test save
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5f1316f
Add output data sets for rotation angles
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74fa9c5
Add total rotation dataset
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cc9e444
Add total rotation
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e056bc1
Clean up and add more code docs
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fc5e964
Hide debug info
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40f9013
Hide unnecessary output
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891f1e8
6.10.0. Minor version bump for fixed rotation code when rotation around
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8304eba
Add manual entry
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610c48a
Make routines public again. Pytraj needs them. Should be private
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a8badfa